(2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

C11H13F3O2S — CID 112745528

IUPAC(2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCC1(C(O)c2cscc2C(F)(F)F)CCCO1
InChIInChI=1S/C11H13F3O2S/c1-10(3-2-4-16-10)9(15)7-5-17-6-8(7)11(12,13)14/h5-6,9,15H,2-4H2,1H3
InChIKeyYIZIFYWQEYQDOG-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.37
Rot. Bonds2

About (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

(2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745528) has the molecular formula C11H13F3O2S and a molecular weight of 266.28 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745528
Molecular FormulaC11H13F3O2S
Molecular Weight266.28 g/mol
Exact Mass266.06
IUPAC Name(2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCC1(C(O)c2cscc2C(F)(F)F)CCCO1
InChIInChI=1S/C11H13F3O2S/c1-10(3-2-4-16-10)9(15)7-5-17-6-8(7)11(12,13)14/h5-6,9,15H,2-4H2,1H3
InChIKeyYIZIFYWQEYQDOG-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745528) is (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is CC1(C(O)c2cscc2C(F)(F)F)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is YIZIFYWQEYQDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2S/c1-10(3-2-4-16-10)9(15)7-5-17-6-8(7)11(12,13)14/h5-6,9,15H,2-4H2,1H3.
What are the key properties of (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
(2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 266.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).